lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride

C36H34LiO6P — CID 173245136

IUPAClithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOc1cccc(OC)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C36H33O6P.Li.H/c1-38-30-19-12-20-31(39-2)34(30)36(37)43-35-32(41-24-27-15-8-4-9-16-27)21-29(40-23-26-13-6-3-7-14-26)22-33(35)42-25-28-17-10-5-11-18-28;;/h3-22,43H,23-25H2,1-2H3;;/q;+1;-1
InChIKeySPROOJHISHGAHR-UHFFFAOYSA-N
MW600.58 g/mol
LogP4.70
Rot. Bonds14

About lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245136) has the molecular formula C36H34LiO6P and a molecular weight of 600.58 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245136
Molecular FormulaC36H34LiO6P
Molecular Weight600.58 g/mol
Exact Mass600.23
IUPAC Namelithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOc1cccc(OC)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C36H33O6P.Li.H/c1-38-30-19-12-20-31(39-2)34(30)36(37)43-35-32(41-24-27-15-8-4-9-16-27)21-29(40-23-26-13-6-3-7-14-26)22-33(35)42-25-28-17-10-5-11-18-28;;/h3-22,43H,23-25H2,1-2H3;;/q;+1;-1
InChIKeySPROOJHISHGAHR-UHFFFAOYSA-N
XLogP4.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515178
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
CID 70012742
CID 70012742
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride (CID 173245136) is lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride is COc1cccc(OC)c1C(=O)Pc1c(OCc2ccccc2)cc(OCc2ccccc2)cc1OCc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is SPROOJHISHGAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33O6P.Li.H/c1-38-30-19-12-20-31(39-2)34(30)36(37)43-35-32(41-24-27-15-8-4-9-16-27)21-29(40-23-26-13-6-3-7-14-26)22-33(35)42-25-28-17-10-5-11-18-28;;/h3-22,43H,23-25H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 600.58 g/mol, XLogP of 4.70, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).